N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

InChI

InChI=1S/C25H26N4O4S2/c1-4-13-29-22-12-9-20(26-18(3)30)15-23(22)34-25(29)27-24(31)19-7-10-21(11-8-19)35(32,33)28-14-5-6-17(2)16-28/h1,7-12,15,17H,5-6,13-14,16H2,2-3H3,(H,26,30)